4-Methyl-1-cyclohexanemethanol (cis- and trans- mixture) - ≥98%(GC) , CAS No.34885-03-5

CAS: 34885-03-5 Cat. No.: M157909 Formule: C₈H₁₆O Poids moléculaire: 128.22 Beilstein Registry Number: 6(3)100 Numéro CE: 609-038-8

GRADE & PURITY ≥98%(GC)

Synonyms

(4-Methylcyclohexyl)methanol, (Z)- | 4-MCHM | 4-Methylcyclohexanemethanol | OSINZLLLLCUKJH-UHFFFAOYSA-N | SB84581 | SCHEMBL155951 | ZB1702 | 4-Methyl-1-cyclohexanemethanol | Calcium pantothenate (VAN) | (trans-4-methylcyclohexyl)methanol | Clindacin Pac |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

(4-Methylcyclohexyl)methanol, (Z)- | 4-MCHM | 4-Methylcyclohexanemethanol | OSINZLLLLCUKJH-UHFFFAOYSA-N | SB84581 | SCHEMBL155951 | ZB1702 | 4-Methyl-1-cyclohexanemethanol | Calcium pantothenate (VAN) | (trans-4-methylcyclohexyl)methanol | Clindacin Pac |

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

• Pubchem Sid: 488187567
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187567
• Sourires canoniques: CC1CCC(CC1)CO
• IUPAC Name: (4-methylcyclohexyl)methanol
• InChIKey: OSINZLLLLCUKJH-UHFFFAOYSA-N
• INCHI: 1S/C8H16O/c1-7-2-4-8(6-9)5-3-7/h7-9H,2-6H2,1H3
• Isomères SMILES: CC1CCC(CC1)CO
• Poids moléculaire: 128.22
• Beilstein: 6(3)100
• Reaxy-Rn: 3028953
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3028953&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Primary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriétés chimiques et physiques

• Indice de réfraction: 1.46
• Point d'éclair (°C): 80 °C
• Poids moléculaire: 128.210 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 128.12 Da
• Monoisotopic Mass: 128.12 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 72.600
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1